pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	AttenGpKa training set	-1	-2	Cc1ncnc2c1N=C(O)[C@@H](O)[N-]2,Cc1ncnc2c1N=C([O-])[C@@H](O)N2	Cc1ncnc2c1N=C([O-])[C-](O)N2,Cc1ncnc2c1N=C(O)[C@@H]([O-])[N-]2,Cc1ncnc2c1N=C(O)[C-](O)[N-]2,Cc1ncnc2c1N=C(O)[C-]([O-])N2	mol26240	Cc1ncnc2c1N=C(O)C(O)N2